49791061
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2.866
3.232
3.4186
4.5981
4.5411
4.8198
5.0009
3.732
2.866
2.866
3.732
2
3.732
2.923
4.232
2
3.732
2.866
4.4131
4.5942
5.1819
3.5996
4.7752
3.1929
3.7807
3.732
2.654
2.2554
5.135
4.5981
1.4631
4.269
2.3334
1.4631
4.269
5.4364
5.6175
5.7985
3.2352
5.1396
2.5763
3.5285
-6.1555
0.8833
2.7104
-2.1555
-0.0677
1.6923
3.4149
-1.6555
-2.1555
-3.1555
-0.6555
-3.6555
-3.6555
-0.0677
0.8833
-4.6555
-4.6555
-5.1555
2.6059
4.3284
5.1374
4.433
6.051
5.3465
6.1555
-2.2755
-1.5729
-2.2632
-1.8455
-2.7755
-3.3455
-3.3455
-0.2593
-4.9655
-4.9655
1.6275
3.3501
5.0726
3.9314
6.5526
5.4113
6.7219
8
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0
Compound
Canonicalized
5
2010.09.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
427
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
3
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BA00044000000000000000000000000016000000030600000000000000001D000001E06100000000C2AC55E24B1D192C81008AC032462740082F0A9610F39098894306688886022E1939194200868950248C8271080800E04000000000000000800000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[4-[1-amino-2-(4-chlorophenyl)ethyl]thiazol-2-yl]-3-phenyl-urea
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[4-[1-amino-2-(4-chlorophenyl)ethyl]-2-thiazolyl]-3-phenylurea
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[4-[1-amino-2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-yl]-3-phenylurea
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[4-[1-azanyl-2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-yl]-3-phenyl-urea
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[4-[1-amino-2-(4-chlorophenyl)ethyl]thiazol-2-yl]-3-phenyl-urea
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C18H17ClN4OS/c19-13-8-6-12(7-9-13)10-15(20)16-11-25-18(22-16)23-17(24)21-14-4-2-1-3-5-14/h1-9,11,15H,10,20H2,(H2,21,22,23,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
SHLFHGPJSLTUOV-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
372.08116
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C18H17ClN4OS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
372.87178
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C(CC3=CC=C(C=C3)Cl)N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C(CC3=CC=C(C=C3)Cl)N
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
108
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
372.08116
25
1
0
1
0
0
0
0
1
5